CID 3068238

Bl-743

Structural Information

Molecular Formula
C17H28N2O5
SMILES
CCOCCOC(=O)NC1=CC=C(C=C1)OCC(CNC(C)C)O
InChI
InChI=1S/C17H28N2O5/c1-4-22-9-10-23-17(21)19-14-5-7-16(8-6-14)24-12-15(20)11-18-13(2)3/h5-8,13,15,18,20H,4,9-12H2,1-3H3,(H,19,21)
InChIKey
UQYFCQJAESBQLK-UHFFFAOYSA-N
Compound name
2-ethoxyethyl N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.19983 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.207106 182.9
[M+Na]+ 363.189048 184.6
[M-H]- 339.192554 183.9
[M+NH4]+ 358.233653 194.7
[M+K]+ 379.162988 183.9
[M+H-H2O]+ 323.197090 174.5
[M+HCOO]- 385.198031 203.6
[M+CH3COO]- 399.213681 214.9
[M+Na-2H]- 361.174496 182.8
[M]+ 340.19928142 187.0
[M]- 340.20037858 187.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.